2-(2-methyl-3-sulfanyl-propanoyl)oxy-3-(phenylsulfonyl)propanoic acid

Systemtic Name: 2-(2-methyl-3-sulfanyl-propanoyl)oxy-3-(phenylsulfonyl)propanoic acid Openeye Name: 3-(benzenesulfonyl)-2-(2-methyl-3-sulfanyl-propanoyl)oxy-propanoic acid CAS Name: 3-(benzenesulfonyl)-2-(3-mercapto-2-methyl-1-oxopropoxy)propanoic acid IUPAC Name: 3-(benzenesulfonyl)-2-(2-methyl-3-sulfanylpropanoyl)oxypropanoic acid Traditional Name: 3-besyl-2-(3-mercapto-2-methyl-propanoyl)oxy-propionic acid Formula: C13H16O6S2 MolecularWeight: 332.39254

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)OC(CS(=O)(=O)C1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(CS)C(=O)OC(CS(=O)(=O)C1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C13H16O6S2/c1-9(7-20)13(16)19-11(12(14)15)8-21(17,18)10-5-3-2-4-6-10/h2-6,9,11,20H,7-8H2,1H3,(H,14,15)